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17-(4-Pyridinyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

View entire compound with spectra: 2 NMR

17-(4-Pyridinyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SpectraBase Compound ID 4EP0kPVMfWP
InChI InChI=1S/C23H16N2O2/c26-22-20-18-14-5-1-2-6-15(14)19(17-8-4-3-7-16(17)18)21(20)23(27)25(22)13-9-11-24-12-10-13/h1-12,18-21H/t18-,19+,20-,21+
InChIKey LXLCMRRXMDGEIO-FXELSEDVSA-N
Mol Weight 352.39 g/mol
Molecular Formula C23H16N2O2
Exact Mass 352.121178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tYq1qIWIXx
Name 17-(4-Pyridinyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.121177761 u
Formula C23H16N2O2
InChI InChI=1S/C23H16N2O2/c26-22-20-18-14-5-1-2-6-15(14)19(17-8-4-3-7-16(17)18)21(20)23(27)25(22)13-9-11-24-12-10-13/h1-12,18-21H/t18-,19+,20-,21+
InChIKey LXLCMRRXMDGEIO-FXELSEDVSA-N
Molecular Weight 352.393 g/mol
SMILES C=1C=C2[C@]3([C@]4(C(N(C([C@]4([C@@](C2=CC1)(C=1C=CC=CC31)[H])[H])=O)C1=CC=NC=C1)=O)[H])[H]